2-(4-aminophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide

C14H23N3O2 — CID 106139459

IUPAC2-(4-aminophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
SMILESCN(C)CC(C)(O)CNC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H23N3O2/c1-14(19,10-17(2)3)9-16-13(18)8-11-4-6-12(15)7-5-11/h4-7,19H,8-10,15H2,1-3H3,(H,16,18)
InChIKeyAOBHIMKDDREDGU-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.24
Rot. Bonds6

About 2-(4-aminophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide

2-(4-aminophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide (PubChem CID 106139459) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
PubChem CID106139459
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(4-aminophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
SMILESCN(C)CC(C)(O)CNC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H23N3O2/c1-14(19,10-17(2)3)9-16-13(18)8-11-4-6-12(15)7-5-11/h4-7,19H,8-10,15H2,1-3H3,(H,16,18)
InChIKeyAOBHIMKDDREDGU-UHFFFAOYSA-N
XLogP0.24
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-pyridin-4-ylacetamide
CID 103960990
2-(4-aminophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65103911
3-[[2-(4-aminophenyl)acetyl]amino]-2,2-dimethylpropanamide
CID 103809503
2-(5-amino-2-oxo-1-pyridinyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
CID 106139601
3,5-diamino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 106139483
2-(4-aminophenyl)-N-(2-methyl-2-methylsulfanylpropyl)acetamide
CID 113266939
5-bromo-N-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 103841106
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-pyridin-2-ylacetamide
CID 104931826
N-(2-amino-2-ethylbutyl)-2-(4-aminophenyl)acetamide
CID 122080857
[1-[[2-(4-aminophenyl)acetyl]amino]-2-methylpropan-2-yl] acetate
CID 174637414
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-sulfanylphenyl)acetamide
CID 107020116
N-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]benzamide
CID 103839771

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide (CID 106139459) is 2-(4-aminophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide is CN(C)CC(C)(O)CNC(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide?
The InChIKey is AOBHIMKDDREDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(19,10-17(2)3)9-16-13(18)8-11-4-6-12(15)7-5-11/h4-7,19H,8-10,15H2,1-3H3,(H,16,18).
What are the key properties of 2-(4-aminophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide?
2-(4-aminophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide has a molecular weight of 265.36 g/mol, XLogP of 0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide is sourced from PubChem (CID 106139459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).